%chk=000250968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250968

0 1
S -4.473122 -0.404157 -0.874608
O -0.957969 0.987091 -1.261585
O 4.291540 -0.258009 1.833752
O 3.683033 1.985328 1.349020
O -1.910287 -1.007328 -1.786582
N -6.628228 1.055375 0.281353
C 0.992833 -2.195383 -1.378509
C 1.673616 -1.019322 -0.697833
C 1.325547 0.306685 -0.989826
C 2.687972 -1.308145 0.258314
C 0.267847 0.648904 -1.997825
C 3.289287 -0.239712 0.875575
C 1.951062 1.407745 -0.338481
C 2.922818 1.108740 0.581750
C 0.246085 -3.047823 -0.346941
C 2.013843 -3.023681 -2.166531
C -2.713297 0.220676 1.211358
C -3.025044 0.523616 -0.250984
C -2.461058 -1.262127 1.513121
C 4.569643 1.146125 2.157942
C -1.936601 0.036075 -1.177406
C -2.056224 -1.465996 2.969766
C -5.731740 0.486969 -0.172995
H 0.223852 -1.813212 -2.110763
H 2.966867 -2.334258 0.485272
H 0.470398 1.586464 -2.548073
H 0.055534 -0.175648 -2.711783
H 1.659920 2.432024 -0.558599
H 0.913523 -3.474077 0.407829
H -0.277634 -3.878922 -0.833886
H -0.519684 -2.448789 0.179826
H 2.579660 -2.400295 -2.867777
H 1.514822 -3.807713 -2.748042
H 2.738592 -3.519182 -1.511153
H -1.820352 0.815825 1.511049
H -3.541670 0.594802 1.849995
H -3.177971 1.626942 -0.380328
H -1.661263 -1.666334 0.844066
H -3.366716 -1.861643 1.289573
H 5.604216 1.360485 1.859517
H 4.313893 1.303332 3.213896
H -1.128251 -0.935701 3.214342
H -1.889963 -2.528224 3.186604
H -2.830027 -1.112322 3.661389


%chk=000250968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250968

0 1
S -4.704695 -0.689593 -0.862444
O -1.053384 0.957654 -1.199059
O 4.379712 -0.439597 1.863874
O 3.703723 1.841401 1.524008
O -2.014324 -1.059928 -1.896641
N -6.836879 0.743326 0.576519
C 1.107164 -2.314765 -1.500943
C 1.714326 -1.133421 -0.729345
C 1.321921 0.227015 -0.934369
C 2.751248 -1.423159 0.211848
C 0.255606 0.641432 -1.920139
C 3.333493 -0.371609 0.913109
C 1.945252 1.291641 -0.204469
C 2.936194 0.967212 0.713301
C 0.597199 -3.434080 -0.554237
C 2.129961 -2.884629 -2.522668
C -2.906350 0.434503 1.131083
C -3.230101 0.473937 -0.379994
C -2.394099 -0.923153 1.658632
C 4.550337 0.952802 2.364879
C -2.062221 0.012281 -1.250371
C -2.170375 -0.891393 3.185520
C -5.945706 0.183741 -0.000085
H 0.223073 -1.966199 -2.061605
H 3.084194 -2.450437 0.379109
H 0.495249 1.608312 -2.388910
H 0.037930 -0.111157 -2.692502
H 1.642484 2.330357 -0.365384
H 1.418733 -3.893133 0.026419
H 0.116861 -4.234838 -1.145283
H -0.150588 -3.043579 0.159311
H 2.469614 -2.106898 -3.230912
H 1.674017 -3.707028 -3.104031
H 3.024129 -3.285513 -2.009468
H -2.141206 1.216506 1.310463
H -3.813842 0.740111 1.687212
H -3.539210 1.488880 -0.680028
H -1.443599 -1.184695 1.152177
H -3.121177 -1.717284 1.401254
H 5.605459 1.247186 2.249052
H 4.198880 1.002670 3.411530
H -1.429054 -0.119318 3.464956
H -1.798803 -1.864656 3.553149
H -3.111845 -0.665707 3.720279


